S-[6-phenoxathiin-2-yl-4-(phenylmethyl)pyridazin-3-yl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanethioate

Systemtic Name: S-[6-phenoxathiin-2-yl-4-(phenylmethyl)pyridazin-3-yl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanethioate Openeye Name: S-(4-benzyl-6-phenoxathiin-2-yl-pyridazin-3-yl) 2-(1,3-dioxoisoindolin-2-yl)propanethioate CAS Name: 2-(1,3-dioxo-2-isoindolyl)propanethioic acid S-[6-(2-phenoxathiinyl)-4-(phenylmethyl)-3-pyridazinyl] ester IUPAC Name: S-(4-benzyl-6-phenoxathiin-2-ylpyridazin-3-yl) 2-(1,3-dioxoisoindol-2-yl)propanethioate Traditional Name: 2-phthalimidopropanethioic acid S-(4-benzyl-6-phenoxathiin-2-yl-pyridazin-3-yl) ester Formula: C34H23N3O4S2 MolecularWeight: 601.69412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)SC1=NN=C(C=C1CC2=CC=CC=C2)C3=CC4=C(C=C3)OC5=CC=CC=C5S4)N6C(=O)C7=CC=CC=C7C6=O

Isomeric SMILES

CC(C(=O)SC1=NN=C(C=C1CC2=CC=CC=C2)C3=CC4=C(C=C3)OC5=CC=CC=C5S4)N6C(=O)C7=CC=CC=C7C6=O

InChI

InChI=1S/C34H23N3O4S2/c1-20(37-32(38)24-11-5-6-12-25(24)33(37)39)34(40)43-31-23(17-21-9-3-2-4-10-21)18-26(35-36-31)22-15-16-28-30(19-22)42-29-14-8-7-13-27(29)41-28/h2-16,18-20H,17H2,1H3